L456-0001 Screening compound: 1-(4-pyridyl)-N-(3,4,5-triethoxybenzyl)-3-piperidinecarboxamide

L456-0001 Screening compound: 1-(4-pyridyl)-N-(3,4,5-triethoxybenzyl)-3-piperidinecarboxamide
L456-0001 Screening compound: 1-(4-pyridyl)-N-(3,4,5-triethoxybenzyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L456-0001
1-(4-pyridyl)-N-(3,4,5-triethoxybenzyl)-3-piperidinecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L456-0001

Molecular Formula

C24H33N3O4 (C24 H33 N3 O4)

Compound Name

1-(4-pyridyl)-N-(3,4,5-triethoxybenzyl)-3-piperidinecarboxamide

IUPAC name

1-(pyridin-4-yl)-N-[(345-triethoxyphenyl)methyl]piperidine-3-carboxamide

SMILES

CCOc1cc(CNC(C(CCC2)CN2c2ccncc2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C24H33N3O4/c1-4-29-21-14-18(15-22(30-5-2)23(21)31-6-3)16-26-24(28)19-8-7-13-27(17-19)20-9-11-25-12-10-20/h9-12,14-15,19H,4-8,13,16-17H2,1-3H3,(H,26,28)/t19-/m0/s1

InChI Key

LNWQTXHZCUSMBN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15127880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

2.099

Water Solubility, LogSw

-2.82

Polar Surface Area

59.183

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

L456-0001 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L456-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L456-0001?
Check Price and Availability of L456-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L456-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L456-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L456-0001
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L456-0001 available by request